HMDB0034312 RDKit 3D Isopimpinellin 28 30 0 0 0 0 0 0 0 0999 V2000 3.3520 1.1162 0.6771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 0.7271 -0.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2284 0.1997 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0405 -1.1507 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 -2.2192 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1703 -3.3483 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -2.9872 0.3057 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2061 -1.6806 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2954 -0.8480 0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -1.3476 0.5118 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4185 -1.7153 -0.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 0.5108 0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1457 1.3240 0.2281 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0639 2.6237 0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0581 3.3926 0.1814 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8276 3.1702 -0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3173 2.3837 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1472 1.0295 -0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5117 0.2848 1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3448 1.3615 0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9967 2.0113 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9850 -2.1885 -0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5729 -4.3532 0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8628 -1.5861 -1.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2917 -1.0214 -0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7276 -2.7809 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6781 4.2401 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2837 2.8516 -0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 3 1 0 8 4 1 0 18 12 2 0 1 19 1 0 1 20 1 0 1 21 1 0 5 22 1 0 6 23 1 0 11 24 1 0 11 25 1 0 11 26 1 0 16 27 1 0 17 28 1 0 M END